Publication
Title
Dependence of the energy of water molecules in clusters upon hydrogen bonds: a Hirshfeld study
Author
Abstract
The energy of water clusters, containing up to 20 water molecules, are partitioned into molecular contributions using the Hirshfeld method at the DFT level. The molecular energies are analyzed with respect to the hydrogen bonding network in the clusters.
Language
English
Source (journal)
Synthesis and reactivity in inorganic and metal-organic chemistry / Kumamoto University. Department of Physics. - New York
Publication
New York : 2008
ISSN
0069-3111
Volume/pages
38:1(2008), p. 84-90
ISI
000253729700013
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 19.01.2009
Last edited 10.07.2017
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